2-azanyl-4-phenyl-3-(phenylmethyl)-3-sulfanyl-butanoic acid; 1,4-dimethylbenzene

Systemtic Name: 2-azanyl-4-phenyl-3-(phenylmethyl)-3-sulfanyl-butanoic acid; 1,4-dimethylbenzene Openeye Name: 2-amino-3-benzyl-4-phenyl-3-sulfanyl-butanoic acid; p-xylene CAS Name: 2-amino-3-mercapto-4-phenyl-3-(phenylmethyl)butanoic acid; 1,4-xylene IUPAC Name: 2-amino-3-benzyl-4-phenyl-3-sulfanylbutanoic acid; 1,4-xylene Traditional Name: 2-amino-3-benzyl-3-mercapto-4-phenyl-butyric acid; p-xylene Formula: C25H29NO2S MolecularWeight: 407.56826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C.C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(C(C(=O)O)N)S

Isomeric SMILES

CC1=CC=C(C=C1)C.C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(C(C(=O)O)N)S

InChI

InChI=1S/C17H19NO2S.C8H10/c18-15(16(19)20)17(21,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;1-7-3-5-8(2)6-4-7/h1-10,15,21H,11-12,18H2,(H,19,20);3-6H,1-2H3